7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C19H23NO — CID 79231019

IUPAC7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccccc1C)CCC2
InChIInChI=1S/C19H23NO/c1-14-6-3-4-7-16(14)13-20-19-9-5-8-15-10-11-17(21-2)12-18(15)19/h3-4,6-7,10-12,19-20H,5,8-9,13H2,1-2H3
InChIKeyQPGGWMNFFPNPMA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.17
Rot. Bonds4

About 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79231019) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79231019
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccccc1C)CCC2
InChIInChI=1S/C19H23NO/c1-14-6-3-4-7-16(14)13-20-19-9-5-8-15-10-11-17(21-2)12-18(15)19/h3-4,6-7,10-12,19-20H,5,8-9,13H2,1-2H3
InChIKeyQPGGWMNFFPNPMA-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230515
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
N-[(4-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248439
N-(furan-3-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115674094
7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107269889
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79231019) is 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCc1ccccc1C)CCC2.
What is the InChIKey of 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QPGGWMNFFPNPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-6-3-4-7-16(14)13-20-19-9-5-8-15-10-11-17(21-2)12-18(15)19/h3-4,6-7,10-12,19-20H,5,8-9,13H2,1-2H3.
What are the key properties of 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79231019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).